Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'hamze' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564716 (CHEMBL4790926) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM13065 (5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564717 (CHEMBL4787876) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114573 BindingDB Entry DOI: 10.7270/Q2XK8KJ3
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564718 (CHEMBL4781618) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564719 (CHEMBL4793858) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114573 BindingDB Entry DOI: 10.7270/Q2XK8KJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				Eur J Med Chem 123: 105-114 (2016) Article DOI: 10.1016/j.ejmech.2016.07.040 BindingDB Entry DOI: 10.7270/Q2GT5Q4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432281 (CHEMBL2347671) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50564720 (CHEMBL4788045) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK3beta in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432287 (CHEMBL2347677) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50506580 (CHEMBL4517272) Show SMILES COc1ccc(C(=C)c2cc(OC)c(OC)c(OC)c2)c(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C21H23NO6/c1-13(15-11-18(26-3)21(28-5)19(12-15)27-4)17-8-7-16(25-2)10-14(17)6-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564720 (CHEMBL4788045) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50564720 (CHEMBL4788045) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK3alpha by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432286 (CHEMBL2347667) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin)				Eur J Med Chem 123: 105-114 (2016) Article DOI: 10.1016/j.ejmech.2016.07.040 BindingDB Entry DOI: 10.7270/Q2GT5Q4M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432280 (CHEMBL2347672) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432285 (CHEMBL2347668) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432279 (CHEMBL2347673) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50564716 (CHEMBL4790926) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK3beta in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50564716 (CHEMBL4790926) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK5/p25 in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50592728 (CHEMBL5183440) Show SMILES COc1ccc(cc1\C=C\C(=O)NO)N(C)c1cc(nc2ccccc12)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114573 BindingDB Entry DOI: 10.7270/Q2XK8KJ3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432287 (CHEMBL2347677) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50564718 (CHEMBL4781618) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK3beta in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50564716 (CHEMBL4790926) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK2/cyclin A in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432281 (CHEMBL2347671) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50564717 (CHEMBL4787876) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK5/p25 in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432286 (CHEMBL2347667) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50564719 (CHEMBL4793858) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK3beta in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432278 (CHEMBL2347674) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O4S2/c1-3-26(23,24)18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)25(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50506582 (CHEMBL4448903) Show SMILES COc1cc(cc(OC)c1OC)C(=C)c1ccc2n(C)cc(\C=C\C(=O)NO)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-14(17-11-20(28-3)23(30-5)21(12-17)29-4)15-6-8-19-18(10-15)16(13-25(19)2)7-9-22(26)24-27/h6-13,27H,1H2,2-5H3,(H,24,26)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432280 (CHEMBL2347672) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK5/p25 in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432284 (CHEMBL2347669) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O4S2/c1-24(20,21)14-10-8-13(9-11-14)16-15(12-6-4-3-5-7-12)18-17(19-16)25(2,22)23/h3-11H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50592729 (CHEMBL5199279) Show SMILES COc1ccc(cc1\C=C\C(=O)NO)N(C)c1nc(C)nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114573 BindingDB Entry DOI: 10.7270/Q2XK8KJ3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432283 (CHEMBL2346675) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50564718 (CHEMBL4781618) Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK5/p25 in presence of ATP by ADP-glo luminescent assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112355 BindingDB Entry DOI: 10.7270/Q28P649Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432277 (CHEMBL2347675) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432282 (CHEMBL2347670) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432285 (CHEMBL2347668) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432276 (CHEMBL2347676) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432284 (CHEMBL2347669) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O4S2/c1-24(20,21)14-10-8-13(9-11-14)16-15(12-6-4-3-5-7-12)18-17(19-16)25(2,22)23/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50506578 (CHEMBL4542119) Show SMILES COc1ccc(cc1\C=C\C(=O)NO)C(=C)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H23NO6/c1-13(16-11-18(26-3)21(28-5)19(12-16)27-4)14-6-8-17(25-2)15(10-14)7-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114573 BindingDB Entry DOI: 10.7270/Q2XK8KJ3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50506578 (CHEMBL4542119) Show SMILES COc1ccc(cc1\C=C\C(=O)NO)C(=C)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H23NO6/c1-13(16-11-18(26-3)21(28-5)19(12-16)27-4)14-6-8-17(25-2)15(10-14)7-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
					More data for this Ligand-Target Pair

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